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Write Brief Answer · Q30

Q.Consider the following electronic arrangements for the d5d^5 configuration:

(a) two orbitals paired (↑↓\uparrow\downarrow, ↑↓\uparrow\downarrow), one orbital singly occupied (↑\uparrow), two orbitals empty;
(b) three orbitals singly occupied (↑,↑,↑\uparrow,\uparrow,\uparrow), one orbital paired (↑↓\uparrow\downarrow), one orbital empty;
(c) all five orbitals singly occupied (↑,↑,↑,↑,↑\uparrow,\uparrow,\uparrow,\uparrow,\uparrow).
(i) Which of these represents the ground state?
(ii) Which configuration has the maximum exchange energy?
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Step 1. Arrangement (a) has 2 orbitals paired and only 1 singly occupied (pattern 2,2,1,0,0) - this violates Hund's rule, since pairing has occurred while two orbitals remain completely empty.

Step 2. Arrangement (b) has 3 orbitals singly occupied and 1 already paired (pattern 1,1,1,2,0) - this also violates Hund's rule, since one orbital is paired while one other orbital is still completely empty.

Step 3. Arrangement (c) has all 5 orbitals singly occupied with parallel spin (pattern 1,1,1,1,1) - this is exactly what Hund's rule of maximum multiplicity requires, so (c) is the true ground state. …

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